Graphene Plasmonics: a Novel Fully Atomistic Approach for Realistic Structures
arXiv:2004.09851 · doi:10.1021/acs.jpclett.0c02051
Abstract
We demonstrate that the plasmonic properties of realistic graphene and graphene-based materials can effectively and accurately be modeled by a novel, fully atomistic, yet classical, approach, named FQ. Such model is able to reproduce all plasmonic features of these materials, and their dependence on shape, dimension and fundamental physical parameters (Fermi energy, relaxation time and two-dimensional electron density). Remarkably, FQ is able to accurately reproduce experimental data for realistic structures of hundreds of nanometers ( 370.000 atoms), which cannot be afforded by any \emph{ab-initio} method. Also, the atomistic nature of FQ permits the investigation of complex shapes, which can hardly be dealt with by exploiting widespread continuum approaches.
arXiv comment20 pages, 4 figures
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